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666855-92-1 | Benzamide, N-[4-[5-(3-phenyl-2-propenyl)-3-isoxazolyl]phenyl]-
CAS No: 666855-92-1 Catalog No: AG00H73S MDL No:
Product Description
Catalog Number:
AG00H73S
Chemical Name:
Benzamide, N-[4-[5-(3-phenyl-2-propenyl)-3-isoxazolyl]phenyl]-
CAS Number:
666855-92-1
Molecular Formula:
C25H20N2O2
Molecular Weight:
380.4385
IUPAC Name:
N-[4-[5-(3-phenylprop-2-enyl)-1,2-oxazol-3-yl]phenyl]benzamide
InChI:
InChI=1S/C25H20N2O2/c28-25(21-11-5-2-6-12-21)26-22-16-14-20(15-17-22)24-18-23(29-27-24)13-7-10-19-8-3-1-4-9-19/h1-12,14-18H,13H2,(H,26,28)
InChI Key:
CZVPOPJZDJORPD-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc(cc1)c1noc(c1)CC=Cc1ccccc1
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.152g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.447g/mol
Monoisotopic Mass:
380.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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